(4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde

C18H29NO2Si — CID 135030444

IUPAC(4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(C=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3/t16?,17-/m1/s1
InChIKeyZNYZKQIQCVAVLU-ZYMOGRSISA-N
MW319.52 g/mol
LogP3.85
Rot. Bonds5

About (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde

(4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde (PubChem CID 135030444) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
PubChem CID135030444
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(C=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3/t16?,17-/m1/s1
InChIKeyZNYZKQIQCVAVLU-ZYMOGRSISA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010273
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal
CID 135077539
(2S,4R)-1-benzyl-2-formyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 50922891
(2S,4R)-1-benzyl-2-methoxycarbonyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 53662624
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)butanal
CID 11361498
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 101212310
(4S,5S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidin-2-one
CID 102012892
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 134863976
(4R,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carbaldehyde
CID 134880468
methyl (2S,3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2-carboxylate
CID 139216925
methyl (2R,3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2-carboxylate
CID 139216928
[(3R,5R)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 23630780

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde?
The IUPAC name of (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde (CID 135030444) is (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde.
What is the SMILES notation for (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde?
The canonical SMILES for (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@@H]1CC(C=O)N(Cc2ccccc2)C1.
What is the InChIKey of (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde?
The InChIKey is ZNYZKQIQCVAVLU-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-18(2,3)22(4,5)21-17-11-16(14-20)19(13-17)12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3/t16?,17-/m1/s1.
What are the key properties of (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde?
(4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde has a molecular weight of 319.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde is sourced from PubChem (CID 135030444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).